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Benzoic acid, 2-[4-(acetyloxy)-3-(methoxycarbonyl)phenoxy]-4-methoxy-6-methyl-, anhydride with 2-hydroxy-4-methoxy-6-methylbenzoic acid
SpectraBase Compound ID 3Qmh8L1B6l3
InChI InChI=1S/C28H26O11/c1-14-9-18(34-4)12-21(30)24(14)27(32)39-28(33)25-15(2)10-19(35-5)13-23(25)38-17-7-8-22(37-16(3)29)20(11-17)26(31)36-6/h7-13,30H,1-6H3
InChIKey ZRSMDNGVEZSZHC-UHFFFAOYSA-N
Mol Weight 538.51 g/mol
Molecular Formula C28H26O11
Exact Mass 538.147512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CV8IoUA3kx7
Name Benzoic acid, 2-[4-(acetyloxy)-3-(methoxycarbonyl)phenoxy]-4-methoxy-6-methyl-, anhydride with 2-hydroxy-4-methoxy-6-methylbenzoic acid
Alternate Name(s) 2-(4'-Acetoxy-3'-methoxycarbonylphenoxy)-4-methoxy-6-methylbenzoic 2''-hydroxy-4''-methoxy-6''-methylbenzoic anhydride 2-[4-(acetyloxy)-3-(methoxycarbonyl)phenoxy]-4-methoxy-6-methylphenyl 2-hydroxy-4-methoxy-6-methylphenyl anhydride
CAS Registry Number 113487-75-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H26O11
InChI InChI=1S/C28H26O11/c1-14-9-18(34-4)12-21(30)24(14)27(32)39-28(33)25-15(2)10-19(35-5)13-23(25)38-17-7-8-22(37-16(3)29)20(11-17)26(31)36-6/h7-13,30H,1-6H3
InChIKey ZRSMDNGVEZSZHC-UHFFFAOYSA-N
Molecular Weight 538.505 g/mol
SMILES Oc1c(C(OC(c2c(cc(cc2C)OC)Oc2cc(C(=O)OC)c(cc2)OC(=O)C)=O)=O)c(cc(OC)c1)C
SPLASH splash10-002f-0229110000-a53a756a7e9bc58a0896
Source of Spectrum B-40-1459-20
Wiley ID 1404308